| Catalog Number | ACM2230820116 |
| CAS | 2230820-11-6 |
| IUPAC Name | 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one |
| Synonyms | AZD-7648;2230820-11-6;AZD7648;UNII-97A09L5JCK;97A09L5JCK;7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one;7-Methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran-4-yl)-7H-purin-8(9H)-one;7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one;CHEMBL4439259;SCHEMBL20299477;GTPL10601;US10407446, Example 3;BDBM413450;BCP30676;EX-A2988;AZD 7648;AZD7648;MFCD32062688;NSC817043;s8843;ZB1555;NSC-817043;SB23233;compound 16 [PMID: 31851518];AC-31586;BS-16016;HY-111783;CS-0091859;CN1C(=O)N(C2CCOCC2)C2=NC(NC3=CN4N=CN=C4C=C3C)=NC=C12;7-Methyl-2-((7-methyl(1,2,4)triazolo(1,5- a)pyridin-6-yl)amino)-9-(tetrahydro-2H-pyran- 4-yl)-7,9-dihydro-8H-purin-8-one;8H-Purin-8-one, 7,9-dihydro-7-methyl-2-((7- methyl(1,2,4)triazolo(1,5-a)pyridin-6- yl)amino)-9-(tetrahydro-2H-pyran-4-yl)- |
| Molecular Weight | 380.4g/mol |
| Molecular Formula | C18H20N8O2 |
| Canonical SMILES | CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5 |
| InChI | InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) |
| InChI Key | XISVSTPEXYIKJL-UHFFFAOYSA-N |
| Complexity | 588 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 380.17092191g/mol |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Monoisotopic Mass | 380.17092191g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 101Ų |
| UNII | 97A09L5JCK |
| X Log P3 | 1 |